(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C14H18FNO2 — CID 103901004

IUPAC(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)cc(C(=O)N2CCC(C)C(O)C2)c1
InChIInChI=1S/C14H18FNO2/c1-9-5-11(7-12(15)6-9)14(18)16-4-3-10(2)13(17)8-16/h5-7,10,13,17H,3-4,8H2,1-2H3
InChIKeyFSCRVRBZDCDNFN-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.98
Rot. Bonds1

About (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103901004) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103901004
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)cc(C(=O)N2CCC(C)C(O)C2)c1
InChIInChI=1S/C14H18FNO2/c1-9-5-11(7-12(15)6-9)14(18)16-4-3-10(2)13(17)8-16/h5-7,10,13,17H,3-4,8H2,1-2H3
InChIKeyFSCRVRBZDCDNFN-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 102961602
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114683510
(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
CID 119138735
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
(3-fluoro-5-methylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538422
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 113396040
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
CID 114683018
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118872

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103901004) is (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is Cc1cc(F)cc(C(=O)N2CCC(C)C(O)C2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is FSCRVRBZDCDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-5-11(7-12(15)6-9)14(18)16-4-3-10(2)13(17)8-16/h5-7,10,13,17H,3-4,8H2,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103901004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).